Chlorine in PDB 6wz3: Cu-Bound Structure of the Engineered Protein Trimer, TRICYT3

The structure of Cu-Bound Structure of the Engineered Protein Trimer, TRICYT3, PDB code: 6wz3 was solved by F.A.Tezcan, A.Kakkis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.18 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	78.447, 81.205, 56.431, 90.00, 92.92, 90.00
R / Rfree (%)	18.8 / 23.6

The structure of Cu-Bound Structure of the Engineered Protein Trimer, TRICYT3 also contains other interesting chemical elements:

Iron	(Fe)	3 atoms
Copper	(Cu)	1 atom

The binding sites of Chlorine atom in the Cu-Bound Structure of the Engineered Protein Trimer, TRICYT3 (pdb code 6wz3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Cu-Bound Structure of the Engineered Protein Trimer, TRICYT3, PDB code: 6wz3:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in the Cu-Bound Structure of the Engineered Protein Trimer, TRICYT3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Cu-Bound Structure of the Engineered Protein Trimer, TRICYT3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:31.7 occ:1.00 NH2 B:ARG62 3.2 25.8 1.0 NH2 A:ARG62 3.2 25.8 1.0 O A:HOH375 3.2 31.1 1.0 O C:HOH373 3.2 28.2 1.0 NH2 C:ARG62 3.2 24.8 1.0 O B:HOH369 3.3 30.2 1.0 CD1 B:ILE59 3.9 23.6 1.0 CD1 A:ILE59 3.9 25.7 1.0 CD1 C:ILE59 3.9 25.5 1.0 NE C:ARG62 3.9 24.5 1.0 NE A:ARG62 3.9 24.3 1.0 NE B:ARG62 3.9 26.1 1.0 CZ B:ARG62 4.0 27.0 1.0 CZ A:ARG62 4.0 26.7 1.0 CZ C:ARG62 4.0 28.3 1.0 CB B:ALA54 4.8 35.4 1.0 CB C:ALA54 4.8 38.4 1.0 CB A:ALA54 4.9 38.3 1.0

Chlorine binding site 2 out of 7 in the Cu-Bound Structure of the Engineered Protein Trimer, TRICYT3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Cu-Bound Structure of the Engineered Protein Trimer, TRICYT3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:27.8 occ:1.00 O C:HOH370 2.6 36.3 1.0 NZ B:LYS41 3.2 20.5 1.0 NZ A:LYS41 3.2 20.5 1.0 NZ C:LYS41 3.3 21.4 1.0 O B:HOH369 3.6 30.2 1.0 O C:HOH373 3.6 28.2 1.0 O A:HOH375 3.7 31.1 1.0 CE A:LYS41 3.7 26.2 1.0 CE B:LYS41 3.8 23.9 1.0 CE C:LYS41 3.9 23.9 1.0 OD2 C:ASP66 4.2 27.1 1.0 OD2 A:ASP66 4.2 24.7 1.0 OD2 B:ASP66 4.2 24.5 1.0

Chlorine binding site 3 out of 7 in the Cu-Bound Structure of the Engineered Protein Trimer, TRICYT3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Cu-Bound Structure of the Engineered Protein Trimer, TRICYT3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:37.4 occ:1.00 ND1 A:HIS73 3.1 31.5 1.0 NH1 A:ARG34 3.1 25.9 1.0 CB A:ALA76 3.7 28.6 1.0 CA A:HIS73 3.7 22.5 1.0 CD A:ARG34 3.7 31.4 1.0 CG A:HIS73 3.9 21.7 1.0 CB A:HIS73 4.0 22.4 1.0 O A:HOH351 4.0 35.0 1.0 CE1 A:HIS73 4.0 31.1 1.0 CZ A:ARG34 4.1 32.1 1.0 N A:HIS73 4.3 20.5 1.0 NE A:ARG34 4.4 29.1 1.0 O A:ILE72 4.6 23.0 1.0 CG2 A:ILE72 4.6 23.2 1.0 CG A:ARG34 4.7 23.2 1.0 C A:ILE72 4.7 25.6 1.0 CB A:ARG34 4.7 19.6 1.0 OD1 C:ASP74 4.8 24.7 1.0 C A:HIS73 4.9 23.0 1.0 O A:HIS73 4.9 23.1 1.0 CE A:LYS31 5.0 31.4 0.5 CZ3 C:TRP70 5.0 24.7 1.0

Chlorine binding site 4 out of 7 in the Cu-Bound Structure of the Engineered Protein Trimer, TRICYT3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Cu-Bound Structure of the Engineered Protein Trimer, TRICYT3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:61.2 occ:1.00 NH2 A:ARG106 2.6 24.5 0.5 NE A:ARG106 3.0 29.2 0.5 CAA A:HEC201 3.1 30.3 1.0 CZ A:ARG106 3.2 28.3 0.5 O2A A:HEC201 3.3 50.5 1.0 CGA A:HEC201 3.6 56.7 1.0 CBA A:HEC201 3.8 34.3 1.0 CD A:ARG106 4.0 28.7 0.5 C2A A:HEC201 4.1 24.6 1.0 O1A A:HEC201 4.3 56.6 1.0 CD A:ARG106 4.3 29.1 0.5 CHA A:HEC201 4.4 24.2 1.0 NH1 A:ARG106 4.5 28.3 0.5 CG A:ARG106 4.6 28.4 0.5 C1A A:HEC201 4.6 28.3 1.0 CG A:ARG106 4.6 28.0 0.5 NH1 A:ARG106 4.7 28.5 0.5 O A:HOH304 4.7 45.1 1.0 NE A:ARG106 4.9 25.5 0.5 O2D A:HEC201 4.9 57.8 1.0

Chlorine binding site 5 out of 7 in the Cu-Bound Structure of the Engineered Protein Trimer, TRICYT3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Cu-Bound Structure of the Engineered Protein Trimer, TRICYT3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl202 b:39.3 occ:1.00 ND1 B:HIS73 3.1 30.2 1.0 NH1 B:ARG34 3.1 27.9 1.0 CB B:ALA76 3.7 32.0 1.0 CA B:HIS73 3.8 23.0 1.0 CD B:ARG34 3.8 31.0 1.0 O B:HOH349 3.9 39.7 1.0 CG B:HIS73 4.0 22.4 1.0 CB B:HIS73 4.0 22.0 1.0 CE1 B:HIS73 4.0 30.6 1.0 CZ B:ARG34 4.1 31.1 1.0 NZ B:LYS31 4.2 33.1 0.5 N B:HIS73 4.4 18.7 1.0 NE B:ARG34 4.4 27.4 1.0 O B:ILE72 4.7 21.8 1.0 CG2 B:ILE72 4.7 23.6 1.0 CB B:ARG34 4.7 22.9 1.0 CG B:ARG34 4.7 23.8 1.0 OD1 A:ASP74 4.7 24.1 1.0 C B:ILE72 4.7 22.8 1.0 NZ B:LYS80 4.8 60.4 1.0 C B:HIS73 4.9 24.7 1.0 O B:HIS73 4.9 24.3 1.0 CZ3 A:TRP70 5.0 21.2 1.0

Chlorine binding site 6 out of 7 in the Cu-Bound Structure of the Engineered Protein Trimer, TRICYT3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Cu-Bound Structure of the Engineered Protein Trimer, TRICYT3 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl202 b:36.5 occ:1.00 ND1 C:HIS73 3.2 29.0 1.0 NH1 C:ARG34 3.2 25.3 1.0 CB C:ALA76 3.7 30.5 1.0 CA C:HIS73 3.7 19.7 1.0 CD C:ARG34 3.8 31.0 1.0 O C:HOH352 3.9 38.8 1.0 CB C:HIS73 4.0 23.4 1.0 CG C:HIS73 4.0 22.8 1.0 NZ C:LYS31 4.1 29.6 0.3 CE1 C:HIS73 4.2 28.6 1.0 CZ C:ARG34 4.2 27.0 1.0 N C:HIS73 4.3 17.2 1.0 NE C:ARG34 4.4 27.4 1.0 CG2 C:ILE72 4.6 21.9 1.0 O C:ILE72 4.6 21.6 1.0 CB C:ARG34 4.7 21.8 1.0 CG C:ARG34 4.7 23.1 1.0 C C:ILE72 4.7 25.0 1.0 OD1 B:ASP74 4.8 24.7 1.0 C C:HIS73 4.8 22.2 1.0 O C:HIS73 4.9 22.3 1.0 CZ3 B:TRP70 5.0 24.2 1.0

Chlorine binding site 7 out of 7 in the Cu-Bound Structure of the Engineered Protein Trimer, TRICYT3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Cu-Bound Structure of the Engineered Protein Trimer, TRICYT3 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl203 b:59.9 occ:0.46 NH1 C:ARG106 2.6 25.7 0.5 NE C:ARG106 3.0 28.5 0.5 CAA C:HEC201 3.1 31.7 1.0 CZ C:ARG106 3.2 28.5 0.5 O2A C:HEC201 3.4 49.4 1.0 CGA C:HEC201 3.8 57.4 1.0 CBA C:HEC201 4.0 35.5 1.0 CD C:ARG106 4.1 26.6 0.5 C2A C:HEC201 4.2 22.2 1.0 CD C:ARG106 4.3 27.6 0.5 CHA C:HEC201 4.5 23.8 1.0 NH2 C:ARG106 4.5 29.5 0.5 O1A C:HEC201 4.5 54.4 1.0 CG C:ARG106 4.7 27.8 0.5 NH2 C:ARG106 4.7 29.2 0.5 C1A C:HEC201 4.7 24.5 1.0 CG C:ARG106 4.7 27.2 0.5 O2D C:HEC201 4.9 58.6 1.0 NE C:ARG106 4.9 24.1 0.5

F.A.Tezcan, A.Kakkis, D.Gagnon, J.Esselborn, R.D.Britt. Metal-Templated Design of Chemically Switchable Protein Assemblies with High-Affinity Coordination Sites. Angew.Chem.Int.Ed.Engl. 2020.
ISSN: ESSN 1521-3773
PubMed: 32830423
DOI: 10.1002/ANIE.202009226